| CAS Number | 1421312-33-5 |
| Catalog Number | AG019EW5(AGN-PC-0WG4C4) |
| Chemical Name | Methyl 1-chloro-4-hydroxy-7-phenoxyisoquinoline-3-carboxylate |
| IUPAC Name | methyl 1-chloro-4-hydroxy-7-phenoxyisoquinoline-3-carboxylate |
| InChI | InChI=1S/C17H12ClNO4/c1-22-17(21)14-15(20)12-8-7-11(9-13(12)16(18)19-14)23-10-5-3-2-4-6-10/h2-9,20H,1H3 |
| InChI Key | UMMWEAOVAUETLR-UHFFFAOYSA-N |
| MDL Number | MFCD29075513 |
| Molecular Formula | C17H12ClNO4 |
| Molecular Weight | 329.7345 |
| SMILES | COC(=O)c1nc(Cl)c2c(c1O)ccc(c2)Oc1ccccc1 |
| Synonyms | Methyl 1-chloro-4-hydroxy-7-phenoxyisoquinoline-3-carboxylate,
1421312-33-5,
SCHEMBL14672082,
BCP25496,
MFCD29075513,
AKOS027429327,
ZINC149190011,
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| Complexity | 415 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 329.736g/mol |
| Monoisotopic Mass | 329.045g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
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Certificate of Analysis
Lot Number